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2553cfce73fe1ba39bb9310d7ea431d3a3f4ac8a
rdkit
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Code
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GraphMol
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ChemTransforms
History
Ricardo Rodriguez
ea7f51f3b1
Fix some mem errors in 2024.09.1 (
#7867
)
2024-10-03 16:05:43 +02:00
..
testData
initial support for reading query files. Python wrapper still needs to be done.
2012-12-17 10:28:35 +00:00
catch_tests.cpp
Fixes
#7327
(
#7328
)
2024-04-08 06:12:56 +02:00
ChemTransforms.cpp
Run clang-format across everything (
#7849
)
2024-09-26 13:39:02 +02:00
ChemTransforms.h
RGD and Stereo Groups (
#6247
)
2023-04-01 07:58:52 +02:00
CMakeLists.txt
Add depiction coordinates to molzip (
#5993
)
2023-01-28 04:46:39 +01:00
MolFragmenter.cpp
Fix some mem errors in 2024.09.1 (
#7867
)
2024-10-03 16:05:43 +02:00
MolFragmenter.h
Run clang-format across everything (
#7849
)
2024-09-26 13:39:02 +02:00
testChemTransforms.cpp
Run clang-format across everything (
#7849
)
2024-09-26 13:39:02 +02:00
